Compound Identification
SMILES
O[C@@H]1[C@@H](O)[C@@H](OCC2=CC(=CC=C2)[N+]([O-])=O)[C@@H](CC2=CC=CC=C2)S(=O)[C@H](CC2=CC=CC=C2)[C@@H]1OCC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=ICIXJHFOEOPEQE-FCJVTMLMSA-N
Formula
C34H34N2O9S
Mass
646.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzylethers Nitroaromatic compounds Thiepanes Sulfoxides Secondary alcohols 1,2-diols Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylether - Nitrobenzene - Nitroaromatic compound - Thiepane - 1,2-diol - C-nitro compound - Secondary alcohol - Sulfoxide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Sulfinyl compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available